6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine

C11H10ClFN4 — CID 168752046

IUPAC6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESFC12CC(Cn3ncc4ncc(Cl)nc43)(C1)C2
InChIInChI=1S/C11H10ClFN4/c12-8-2-14-7-1-15-17(9(7)16-8)6-10-3-11(13,4-10)5-10/h1-2H,3-6H2
InChIKeyZIUWTPXSAVEFFB-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.37
Rot. Bonds2

About 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine

6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine (PubChem CID 168752046) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine
PubChem CID168752046
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine
SMILESFC12CC(Cn3ncc4ncc(Cl)nc43)(C1)C2
InChIInChI=1S/C11H10ClFN4/c12-8-2-14-7-1-15-17(9(7)16-8)6-10-3-11(13,4-10)5-10/h1-2H,3-6H2
InChIKeyZIUWTPXSAVEFFB-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine (CID 168752046) is 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine is FC12CC(Cn3ncc4ncc(Cl)nc43)(C1)C2.
What is the InChIKey of 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is ZIUWTPXSAVEFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c12-8-2-14-7-1-15-17(9(7)16-8)6-10-3-11(13,4-10)5-10/h1-2H,3-6H2.
What are the key properties of 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine?
6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 252.68 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 168752046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).